An analysis of states in the phase space: the diatomic molecules |
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Authors: | S Tosto |
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Institution: | (1) Dipartimento Innovazione, ENEA Casaccia, Via Anguillarese 301, 00060 Roma, Italy |
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Abstract: | Summary The paper concerns a theoretical model to calculate the number of allowed states for the electrons in the diatomic molecules
through the quantum-statistical analysis of the phase space. The approach is a straightforward extension of that already discussed
in the case of many-electron atoms. Simple formulae are derived that enable to calculate the dissociation energy, bond length
and vibrational frequency of diatomic molecules in a good agreement with the experimental data. |
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Keywords: | Calculations and mathematical techniques in atomic and molecular physics Ab initio calculations |
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